Geometry & MOs

Info

ID:

377208

PubChem CID:

134223248

Reduced:

N5H35C57 (1)

Stoich.:

A5B35C57 (1)

Weight, g/mol:

789.289246

ΔHf, kcal/mol:

299.6

Dipole, Da:

2.35

IP(EA), eV:

 -7.2(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,15-diazaheptacyclo[20.3.1.02,7.08,25.09,14.015,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,16,18(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC(=C4)C5=CC6=C(C=C5)C7=CC8=CC=CC9=C8C1=C7N6C2=CC=CC=C2N1C=C9)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations